X5J515_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J515, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 103 aa.

						>X5J515_MOUSE|X5J515
LSCKASGYAFSNYWMNWVKQRPGKGLEWIGQIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARGLLRVYFDYWGQGTTLTVSSESQS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	L	97.2	Very high	94.2	Very high	69 Å²	69	62.2 Å²	62.2	36%	0.361	40%	0.404	S	S	.	.				0	146.6	0	-57.2	-174.8	0	0	0	109.2	W17 Y61 M62 Y75 T93	L1-W17 HydrophobicContact CB-CH2 3.88Å; L1-W17 HydrophobicContact CB-CZ3 3.74Å; L1-W17 HydrophobicContact CD1-CZ3 4.2Å; L1-Y61 WeakPolarHBondContact O-CA 3.35Å; L1-M62 HydrophobicContact CD1-CE 3.79Å; L1-M62 PolarHBondContact N-O 3.1Å; L1-M62 PolarHBondContact O-N 2.82Å; L1-Y75 HydrophobicContact CD1-CD1 3.97Å; L1-Y75 HydrophobicContact CD1-CD2 4.43Å; L1-Y75 HydrophobicContact CD1-CG 3.69Å; L1-T93 HydrophobicContact CD1-CG2 4.25Å; L1-T93 HydrophobicContact CD2-CG2 3.87Å
2	S	97.8	Very high	94.1	Very high	84 Å²	84	64.6 Å²	64.6	59%	0.587	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.8	174.9	53.8	0	0	0	0	110.1	A60	S2-A60 CarbonylContact C-O 3.48Å; S2-A60 WeakPolarHBondContact CA-O 3.33Å
3	C	97.6	Very high	94	Very high	14 Å²	14	64.3 Å²	64.3	10%	0.095	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	110.1	178.1	177.3	0	0	0	0	108.9	W17 T59 A60 C77	C3-W17 HydrophobicContact CB-CH2 3.73Å; C3-W17 HydrophobicContact CB-CZ2 3.99Å; C3-T59 WeakPolarHBondContact O-CA 3.38Å; C3-A60 PolarHBondContact N-O 2.99Å; C3-A60 PolarHBondContact O-N 2.9Å; C3-C77 HydrophobicContact CB-CB 3.44Å; C3-C77 VanDerWaalsContact CB-CB 3.44Å; C3-C77 WeakPolarHBondContact CB-SG 3.36Å; C3-C77 WeakPolarHBondContact SG-CB 3.15Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.83Å
4	K	97.1	Very high	94.1	Very high	154 Å²	154	62.3 Å²	62.3	67%	0.67	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	124	179.8	-173.9	171.7	-178.1	174.7	0	110.2	S57 T59	K4-S57 WeakPolarHBondContact CE-O 3.35Å; K4-T59 HydrophobicContact CB-CG2 4.48Å
5	A	94.7	Very high	94.2	Very high	10 Å²	10	58.4 Å²	58.4	8%	0.083	36%	0.355	C	S	.	.			trans	-79.7	152.6	173.5	0	0	0	0	0	111.6	Y8 F10 S58	A5-Y8 HydrophobicContact CB-CE1 3.99Å; A5-Y8 HydrophobicContact CB-CE2 4.16Å; A5-Y8 WeakPolarHBondContact CB-OH 3.42Å; A5-F10 HydrophobicContact CB-CB 4.15Å; A5-F10 HydrophobicContact CB-CD2 3.42Å; A5-F10 VanDerWaalsContact CB-CD2 3.42Å; A5-F10 HydrophobicContact CB-CE2 4.11Å; A5-F10 HydrophobicContact CB-CG 4.06Å; A5-S58 PolarHBondContact N-O 3Å
6	S	92.7	Very high	94.4	Very high	103 Å²	103	54.8 Å²	54.8	72%	0.72	33%	0.333	S	S	*	.			trans	-151.2	154.9	172.7	59.9	0	0	0	0	110.1	Y8	S6-Y8 VanDerWaalsContact C-N 3.32Å; S6-Y8 WeakPolarHBondContact O-CD1 3.5Å; S6-Y8 WeakPolarHBondContact O-CE1 3.29Å; S6-Y8 PolarHBondContact O-N 3.26Å
7	G	90.7	Very high	94.6	Very high	91 Å²	91	51.8 Å²	51.8	94%	0.938	31%	0.314	S	S	*	.	S	Bend	trans	76.3	5.9	176.3	0	0	0	0	0	116.5
8	Y	87.9	Confident	94.7	Very high	55 Å²	55	49 Å²	49	22%	0.216	30%	0.298	C	S	.	.	S	Bend	trans	-153.7	164.3	174.6	62.7	-87	0	0	0	112.3	A5 S6 F10 Y13 M15 R79	A5-Y8 HydrophobicContact CB-CE1 3.99Å; A5-Y8 HydrophobicContact CB-CE2 4.16Å; A5-Y8 WeakPolarHBondContact CB-OH 3.42Å; S6-Y8 VanDerWaalsContact C-N 3.32Å; S6-Y8 WeakPolarHBondContact O-CD1 3.5Å; S6-Y8 WeakPolarHBondContact O-CE1 3.29Å; S6-Y8 PolarHBondContact O-N 3.26Å; Y8-F10 PolarHBondContact O-N 3.29Å; Y8-Y13 AromaticContact CD2-CD2 3.51Å; Y8-Y13 HydrophobicContact CD2-CD2 3.51Å; Y8-Y13 AromaticContact CD2-CE2 3.93Å; Y8-Y13 HydrophobicContact CD2-CE2 3.93Å; Y8-Y13 HydrophobicContact CD2-CG 4.24Å; Y8-Y13 AromaticContact CE2-CD2 3.97Å; Y8-Y13 HydrophobicContact CE2-CD2 3.97Å; Y8-Y13 HydrophobicContact CE2-CG 4.31Å; Y8-Y13 HydrophobicContact CG-CD2 4.45Å; Y8-Y13 HydrophobicContact CG-CE2 4.49Å; Y8-M15 WeakPolarHBondContact OH-CE 3.47Å; Y8-R79 HydrophobicContact CE1-CG 4.39Å; Y8-R79 HydrophobicContact CE2-CG 3.9Å; Y8-R79 VanDerWaalsContact CZ-CD 3.42Å
9	A	92.6	Very high	94.8	Very high	53 Å²	53	46.5 Å²	46.5	44%	0.438	28%	0.282	S	S	.	.			trans	-69.3	97.4	172.5	0	0	0	0	0	110.4	S11 N12 Y13	A9-S11 PolarHBondContact O-N 3.48Å; A9-S11 VanDerWaalsContact O-N 3.15Å; A9-N12 HydrophobicContact CB-CB 4.42Å; A9-N12 PolarHBondContact O-N 2.82Å; A9-Y13 WeakPolarHBondContact O-CD2 3.43Å
10	F	93.8	Very high	94.9	Very high	6 Å²	6	48 Å²	48	3%	0.026	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-55.3	-32.5	-174.3	174.7	-117.2	0	0	0	114.1	A5 Y8 N12 M15 P34 A53 S58 A60	A5-F10 HydrophobicContact CB-CB 4.15Å; A5-F10 HydrophobicContact CB-CD2 3.42Å; A5-F10 VanDerWaalsContact CB-CD2 3.42Å; A5-F10 HydrophobicContact CB-CE2 4.11Å; A5-F10 HydrophobicContact CB-CG 4.06Å; Y8-F10 PolarHBondContact O-N 3.29Å; F10-N12 PolarHBondContact O-N 2.83Å; F10-M15 HydrophobicContact CE2-CE 4.04Å; F10-P34 HydrophobicContact CD1-CB 3.8Å; F10-P34 HydrophobicContact CD1-CG 4.1Å; F10-P34 HydrophobicContact CD2-CG 4.09Å; F10-P34 HydrophobicContact CE1-CB 3.48Å; F10-P34 VanDerWaalsContact CE1-CB 3.48Å; F10-P34 HydrophobicContact CE1-CG 3.67Å; F10-P34 HydrophobicContact CE2-CB 4.38Å; F10-P34 HydrophobicContact CE2-CG 3.65Å; F10-P34 HydrophobicContact CG-CB 4.41Å; F10-P34 HydrophobicContact CG-CG 4.32Å; F10-P34 HydrophobicContact CZ-CB 3.8Å; F10-P34 HydrophobicContact CZ-CG 3.42Å; F10-P34 VanDerWaalsContact CZ-CG 3.42Å; F10-A53 HydrophobicContact CE1-CB 4.14Å; F10-A53 HydrophobicContact CZ-CB 4.08Å; F10-S58 VanDerWaalsContact CD1-CA 3.48Å; F10-A60 HydrophobicContact CE2-CB 4.27Å; F10-A60 HydrophobicContact CZ-CB 3.97Å
11	S	94.6	Very high	95	Very high	45 Å²	45	48.9 Å²	48.9	32%	0.315	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-64.4	-15.2	177.3	51.4	0	0	0	0	115.3	A9 Y33 G35	A9-S11 PolarHBondContact O-N 3.48Å; A9-S11 VanDerWaalsContact O-N 3.15Å; S11-Y33 VanDerWaalsContact O-CZ 3.3Å; S11-Y33 PolarHBondContact O-OH 3.22Å; S11-G35 VanDerWaalsContact O-CA 3.24Å; S11-G35 WeakPolarHBondContact O-CA 3.23Å; S11-G35 PolarHBondContact O-N 2.72Å
12	N	92.7	Very high	94.7	Very high	91 Å²	91	51.2 Å²	51.2	49%	0.487	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-105.6	5.7	-167.5	-60.6	11.3	0	0	0	113.4	A9 F10	A9-N12 HydrophobicContact CB-CB 4.42Å; A9-N12 PolarHBondContact O-N 2.82Å; F10-N12 PolarHBondContact O-N 2.83Å
13	Y	92.9	Very high	94.5	Very high	61 Å²	61	51.2 Å²	51.2	24%	0.239	32%	0.317	C	S	.	.	S	Bend	trans	-138	149.1	-175.8	-65.7	-93.3	0	0	0	111.2	Y8 A9 P34 R79 L81	Y8-Y13 AromaticContact CD2-CD2 3.51Å; Y8-Y13 HydrophobicContact CD2-CD2 3.51Å; Y8-Y13 AromaticContact CD2-CE2 3.93Å; Y8-Y13 HydrophobicContact CD2-CE2 3.93Å; Y8-Y13 HydrophobicContact CD2-CG 4.24Å; Y8-Y13 AromaticContact CE2-CD2 3.97Å; Y8-Y13 HydrophobicContact CE2-CD2 3.97Å; Y8-Y13 HydrophobicContact CE2-CG 4.31Å; Y8-Y13 HydrophobicContact CG-CD2 4.45Å; Y8-Y13 HydrophobicContact CG-CE2 4.49Å; A9-Y13 WeakPolarHBondContact O-CD2 3.43Å; Y13-P34 WeakPolarHBondContact O-CD 3.37Å; Y13-R79 HydrophobicContact CD1-CG 3.95Å; Y13-R79 HydrophobicContact CG-CG 3.88Å; Y13-L81 HydrophobicContact CD1-CD2 3.76Å; Y13-L81 HydrophobicContact CD1-CG 4.29Å; Y13-L81 HydrophobicContact CE1-CD2 3.6Å; Y13-L81 HydrophobicContact CE1-CG 4.21Å
14	W	95	Very high	94.4	Very high	36 Å²	36	57.1 Å²	57.1	14%	0.136	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131	171.1	-69.3	86.8	0	0	0	110.5	Q31 Y33 D38 G80 L81	W14-Q31 HydrophobicContact CD2-CG 4.14Å; W14-Q31 HydrophobicContact CE3-CB 3.84Å; W14-Q31 HydrophobicContact CE3-CG 3.31Å; W14-Q31 HydrophobicContact CZ3-CB 4.48Å; W14-Q31 HydrophobicContact CZ3-CG 3.61Å; W14-Y33 AromaticContact CD1-CD2 3.95Å; W14-Y33 HydrophobicContact CD2-CD2 4.08Å; W14-Y33 HydrophobicContact CD2-CG 4.38Å; W14-Y33 AromaticContact CE2-CD2 3.98Å; W14-Y33 VanDerWaalsContact CE3-N 3.25Å; W14-Y33 HydrophobicContact CG-CD2 4.11Å; W14-Y33 HydrophobicContact CZ2-CG 4.36Å; W14-Y33 VanDerWaalsContact CZ3-N 3.32Å; W14-Y33 AromaticContact NE1-CD2 3.86Å; W14-D38 HydrophobicContact CH2-CB 4.1Å; W14-D38 WeakPolarHBondContact CH2-OD2 3.49Å; W14-D38 WeakPolarHBondContact CZ3-O 3.25Å; W14-G80 WeakPolarHBondContact CB-O 3.24Å; W14-G80 PolarHBondContact N-O 2.8Å; W14-G80 PolarHBondContact O-N 3.2Å; W14-L81 VanDerWaalsContact CD1-O 3.22Å
15	M	96.3	Very high	94.2	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.02	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.1	164.7	-170.7	60.4	67.9	0	0	109.3	Y8 F10 Q31 I32 A60 C77	Y8-M15 WeakPolarHBondContact OH-CE 3.47Å; F10-M15 HydrophobicContact CE2-CE 4.04Å; M15-Q31 CarbonylContact O-C 3.38Å; M15-Q31 VanDerWaalsContact O-CA 3.24Å; M15-Q31 WeakPolarHBondContact O-CA 3.4Å; M15-I32 HydrophobicContact CB-CG2 4.2Å; M15-I32 PolarHBondContact N-O 3.36Å; M15-I32 PolarHBondContact O-N 2.87Å; M15-A60 HydrophobicContact CB-CB 3.9Å; M15-A60 HydrophobicContact CG-CB 3.53Å; M15-C77 HydrophobicContact CG-CB 4.43Å; M15-C77 HydrophobicContact SD-CB 3.79Å
16	N	96.6	Very high	94.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	147.9	179.9	-71.9	-97.4	0	0	0	110.4	W28 Q31 C77 A78 F86	N16-W28 PolarHBondContact OD1-NE1 3.44Å; N16-Q31 WeakPolarHBondContact OD1-CB 3.4Å; N16-Q31 PolarHBondContact OD1-OE1 2.96Å; N16-C77 CarbonylContact O-C 3.57Å; N16-C77 WeakPolarHBondContact O-CA 3.44Å; N16-A78 HydrophobicContact CB-CB 4.41Å; N16-A78 WeakPolarHBondContact CB-O 3.42Å; N16-A78 PolarHBondContact N-O 3.15Å; N16-A78 PolarHBondContact O-N 3.04Å; N16-F86 HydrophobicContact CB-CD1 4.29Å; N16-F86 HydrophobicContact CB-CE1 3.8Å; N16-F86 HydrophobicContact CB-CZ 4.2Å; N16-F86 WeakPolarHBondContact ND2-CE1 3.44Å; N16-F86 VanDerWaalsContact OD1-CE1 3.23Å; N16-F86 WeakPolarHBondContact OD1-CE1 3.38Å
17	W	97.4	Very high	94.4	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.5	172.8	-68.2	92.5	0	0	0	110	L1 C3 I29 G30 L51 A60 M62 F76 C77	L1-W17 HydrophobicContact CB-CH2 3.88Å; L1-W17 HydrophobicContact CB-CZ3 3.74Å; L1-W17 HydrophobicContact CD1-CZ3 4.2Å; C3-W17 HydrophobicContact CB-CH2 3.73Å; C3-W17 HydrophobicContact CB-CZ2 3.99Å; W17-I29 HydrophobicContact CB-CB 4.25Å; W17-I29 HydrophobicContact CB-CD1 4.46Å; W17-I29 WeakPolarHBondContact O-CB 3.2Å; W17-I29 PolarHBondContact O-N 3.02Å; W17-G30 PolarHBondContact N-O 3.08Å; W17-G30 PolarHBondContact O-N 3.09Å; W17-L51 VanDerWaalsContact CD1-CD2 3.47Å; W17-L51 HydrophobicContact CG-CD2 4.09Å; W17-A60 HydrophobicContact CZ2-CB 4.29Å; W17-M62 HydrophobicContact CB-CE 4.23Å; W17-M62 HydrophobicContact CB-SD 3.87Å; W17-M62 HydrophobicContact CD2-CB 3.71Å; W17-M62 HydrophobicContact CD2-CE 4.11Å; W17-M62 HydrophobicContact CD2-SD 4.24Å; W17-M62 HydrophobicContact CE3-CB 4.08Å; W17-M62 HydrophobicContact CE3-CE 3.77Å; W17-M62 HydrophobicContact CE3-SD 4.49Å; W17-M62 HydrophobicContact CG-CB 4.13Å; W17-M62 HydrophobicContact CG-CE 4.35Å; W17-M62 HydrophobicContact CG-SD 4Å; W17-M62 HydrophobicContact CH2-CB 4.3Å; W17-M62 HydrophobicContact CZ2-CB 3.96Å; W17-M62 HydrophobicContact CZ3-CB 4.36Å; W17-M62 HydrophobicContact CZ3-CE 4.46Å; W17-F76 WeakPolarHBondContact CA-O 3.49Å; W17-C77 HydrophobicContact CD2-CB 4.46Å; W17-C77 HydrophobicContact CE3-CB 4.18Å; W17-C77 HydrophobicContact CH2-CB 4.3Å; W17-C77 HydrophobicContact CZ3-CB 4.11Å
18	V	96.9	Very high	94.6	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.6	-173.7	-177.5	0	0	0	0	108.3	L26 E27 Y75 F76 W89	V18-L26 HydrophobicContact CG1-CB 3.82Å; V18-L26 HydrophobicContact CG1-CD2 4.05Å; V18-L26 HydrophobicContact CG1-CG 4.4Å; V18-E27 WeakPolarHBondContact CA-O 3.3Å; V18-Y75 WeakPolarHBondContact O-CA 3.46Å; V18-F76 PolarHBondContact N-O 3.36Å; V18-F76 PolarHBondContact O-N 2.8Å; V18-W89 HydrophobicContact CB-CH2 4.28Å; V18-W89 HydrophobicContact CB-CZ3 3.92Å; V18-W89 HydrophobicContact CG1-CH2 4.19Å; V18-W89 HydrophobicContact CG1-CZ3 4.12Å; V18-W89 HydrophobicContact CG2-CH2 3.92Å; V18-W89 HydrophobicContact CG2-CZ3 3.89Å
19	K	96.6	Very high	95.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152	167.7	74.9	175.5	-164.5	172.2	0	112.5	E27 I29 F45 D71 A73 V74 Y75	K19-E27 HydrophobicContact CG-CB 4.04Å; K19-E27 PolarHBondContact N-O 3.36Å; K19-E27 PolarHBondContact O-N 2.94Å; K19-I29 HydrophobicContact CB-CD1 4.14Å; K19-I29 HydrophobicContact CG-CD1 4.46Å; K19-F45 HydrophobicContact CD-CE1 3.98Å; K19-F45 HydrophobicContact CD-CZ 4.11Å; K19-F45 HydrophobicContact CG-CZ 4.28Å; K19-D71 IonicContact NZ-OD1 3.38Å; K19-D71 PolarHBondContact NZ-OD1 2.93Å; K19-A73 HydrophobicContact CB-CB 4.09Å; K19-A73 HydrophobicContact CD-CB 4.19Å; K19-A73 HydrophobicContact CG-CB 4.49Å; K19-V74 CarbonylContact C-O 3.53Å; K19-V74 WeakPolarHBondContact CA-O 3.38Å; K19-Y75 HydrophobicContact CB-CD1 3.75Å; K19-Y75 HydrophobicContact CB-CE1 3.66Å; K19-Y75 HydrophobicContact CB-CE2 4.43Å; K19-Y75 HydrophobicContact CB-CG 4.23Å; K19-Y75 HydrophobicContact CD-CE1 3.94Å; K19-Y75 HydrophobicContact CG-CE1 4.39Å
20	Q	97.4	Very high	95.2	Very high	76 Å²	76	45.7 Å²	45.7	36%	0.355	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.1	171.2	-163.9	179	16.1	0	0	109.6	K24 L26 A73 V74 F76	Q20-K24 PolarHBondContact NE2-O 2.81Å; Q20-L26 HydrophobicContact CB-CD2 3.92Å; Q20-L26 HydrophobicContact CG-CD2 4.06Å; Q20-A73 WeakPolarHBondContact O-CA 3.37Å; Q20-A73 VanDerWaalsContact O-CB 3.29Å; Q20-A73 WeakPolarHBondContact O-CB 3.26Å; Q20-V74 PolarHBondContact N-O 3.04Å; Q20-V74 PolarHBondContact O-N 2.84Å; Q20-F76 HydrophobicContact CB-CE2 3.85Å
21	R	95.8	Very high	95.4	Very high	66 Å²	66	45.8 Å²	45.8	25%	0.249	26%	0.261	C	S	.	.			trans	-83.4	149.7	169.5	-68.1	170.1	168.9	143.5	-22.2	109.6	G23 K24 E27 E70 A73	R21-G23 PolarHBondContact O-N 3.13Å; R21-K24 HydrophobicContact CB-CB 4.03Å; R21-K24 HydrophobicContact CB-CG 3.92Å; R21-K24 PolarHBondContact O-N 3.14Å; R21-E27 IonicContact CZ-OE1 3.62Å; R21-E27 IonicContact NE-OE1 3.92Å; R21-E27 IonicContact NH1-OE1 2.72Å; R21-E27 PolarHBondContact NH1-OE1 2.9Å; R21-E27 IonicContact NH1-OE2 3.64Å; R21-E70 VanDerWaalsContact CZ-O 3.25Å; R21-E70 PolarHBondContact NE-O 3.47Å; R21-E70 PolarHBondContact NH2-O 2.03Å; R21-A73 HydrophobicContact CG-CB 4.17Å
22	P	92.4	Very high	95.5	Very high	118 Å²	118	43.9 Å²	43.9	77%	0.766	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	129.3	173.8	-27.3	35.4	0	0	0	112	K24	P22-K24 PolarHBondContact O-N 3.07Å
23	G	93.6	Very high	95.7	Very high	84 Å²	84	42.4 Å²	42.4	87%	0.866	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	15.8	-178.9	0	0	0	0	0	115.6	R21	R21-G23 PolarHBondContact O-N 3.13Å
24	K	94.4	Very high	95.8	Very high	138 Å²	138	39.6 Å²	39.6	60%	0.6	23%	0.225	S	C	*	.	S	Bend	trans	-121.8	160.5	175.8	-56.2	-62.5	176.3	-171.6	0	111.6	Q20 R21 P22	Q20-K24 PolarHBondContact NE2-O 2.81Å; R21-K24 HydrophobicContact CB-CB 4.03Å; R21-K24 HydrophobicContact CB-CG 3.92Å; R21-K24 PolarHBondContact O-N 3.14Å; P22-K24 PolarHBondContact O-N 3.07Å
25	G	94.1	Very high	95.9	Very high	54 Å²	54	39 Å²	39	56%	0.557	23%	0.23	S	C	*	.			trans	-69.4	175.2	171.9	0	0	0	0	0	113
26	L	94.8	Very high	95.8	Very high	96 Å²	96	44.4 Å²	44.4	50%	0.503	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	128.1	176.3	-63.2	175.3	0	0	0	110.9	V18 Q20 W89	V18-L26 HydrophobicContact CG1-CB 3.82Å; V18-L26 HydrophobicContact CG1-CD2 4.05Å; V18-L26 HydrophobicContact CG1-CG 4.4Å; Q20-L26 HydrophobicContact CB-CD2 3.92Å; Q20-L26 HydrophobicContact CG-CD2 4.06Å; L26-W89 HydrophobicContact CD1-CH2 3.84Å; L26-W89 HydrophobicContact CD1-CZ2 4.32Å
27	E	95.7	Very high	95.8	Very high	36 Å²	36	46.3 Å²	46.3	17%	0.168	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	106.3	174	-65.7	-171.8	-103.3	0	0	109.5	V18 K19 R21 I29 K44 F45	V18-E27 WeakPolarHBondContact CA-O 3.3Å; K19-E27 HydrophobicContact CG-CB 4.04Å; K19-E27 PolarHBondContact N-O 3.36Å; K19-E27 PolarHBondContact O-N 2.94Å; R21-E27 IonicContact CZ-OE1 3.62Å; R21-E27 IonicContact NE-OE1 3.92Å; R21-E27 IonicContact NH1-OE1 2.72Å; R21-E27 PolarHBondContact NH1-OE1 2.9Å; R21-E27 IonicContact NH1-OE2 3.64Å; E27-I29 PolarHBondContact O-N 2.89Å; E27-K44 IonicContact OE2-NZ 4Å; E27-F45 HydrophobicContact CB-CZ 4.37Å
28	W	95.9	Very high	95.8	Very high	40 Å²	40	50.3 Å²	50.3	15%	0.152	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.2	173.6	-178.7	83.1	0	0	0	110.5	N16 G30 Q31 N42 R83 F86	N16-W28 PolarHBondContact OD1-NE1 3.44Å; W28-G30 VanDerWaalsContact CZ2-C 3.45Å; W28-G30 VanDerWaalsContact CZ2-CA 3.47Å; W28-G30 PolarHBondContact NE1-O 2.81Å; W28-Q31 HydrophobicContact CZ2-CB 3.96Å; W28-Q31 HydrophobicContact CZ2-CG 3.78Å; W28-N42 HydrophobicContact CE3-CB 3.79Å; W28-N42 HydrophobicContact CZ3-CB 3.96Å; W28-N42 VanDerWaalsContact CZ3-N 3.35Å; W28-N42 WeakPolarHBondContact O-CB 3.38Å; W28-N42 PolarHBondContact O-ND2 3.46Å; W28-R83 HydrophobicContact CH2-CG 4.27Å; W28-R83 VanDerWaalsContact CH2-CZ 3.44Å; W28-R83 HydrophobicContact CZ2-CG 3.97Å; W28-R83 VanDerWaalsContact CZ3-CZ 3.48Å; W28-F86 AromaticContact CD1-CZ 3.88Å
29	I	96.8	Very high	95.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-48.6	-176.4	-60.9	173.6	0	0	0	110.1	W17 K19 E27 N42 F45 A49 M62 Y75	W17-I29 HydrophobicContact CB-CB 4.25Å; W17-I29 HydrophobicContact CB-CD1 4.46Å; W17-I29 WeakPolarHBondContact O-CB 3.2Å; W17-I29 PolarHBondContact O-N 3.02Å; K19-I29 HydrophobicContact CB-CD1 4.14Å; K19-I29 HydrophobicContact CG-CD1 4.46Å; E27-I29 PolarHBondContact O-N 2.89Å; I29-N42 WeakPolarHBondContact O-CB 3.42Å; I29-N42 PolarHBondContact O-N 2.92Å; I29-F45 HydrophobicContact CB-CD1 4.46Å; I29-F45 HydrophobicContact CB-CD2 4.34Å; I29-F45 HydrophobicContact CB-CG 4.23Å; I29-F45 HydrophobicContact CG1-CD1 4.1Å; I29-F45 HydrophobicContact CG1-CD2 4.34Å; I29-F45 HydrophobicContact CG1-CE1 3.96Å; I29-F45 HydrophobicContact CG1-CE2 4.2Å; I29-F45 HydrophobicContact CG1-CG 4.28Å; I29-F45 HydrophobicContact CG1-CZ 4.01Å; I29-F45 HydrophobicContact CG2-CB 3.72Å; I29-F45 HydrophobicContact CG2-CD1 3.96Å; I29-F45 HydrophobicContact CG2-CD2 4.32Å; I29-F45 HydrophobicContact CG2-CG 3.75Å; I29-A49 HydrophobicContact CG2-CB 3.77Å; I29-M62 HydrophobicContact CD1-CE 3.75Å; I29-M62 HydrophobicContact CD1-SD 3.91Å; I29-M62 HydrophobicContact CG2-SD 3.81Å; I29-Y75 HydrophobicContact CD1-CD1 3.74Å; I29-Y75 HydrophobicContact CD1-CE1 3.64Å
30	G	96.3	Very high	95.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	179.5	-173.4	0	0	0	0	0	111.8	W17 W28 N40	W17-G30 PolarHBondContact N-O 3.08Å; W17-G30 PolarHBondContact O-N 3.09Å; W28-G30 VanDerWaalsContact CZ2-C 3.45Å; W28-G30 VanDerWaalsContact CZ2-CA 3.47Å; W28-G30 PolarHBondContact NE1-O 2.81Å; G30-N40 CarbonylContact C-O 3.57Å; G30-N40 WeakPolarHBondContact CA-O 3.23Å
31	Q	96.4	Very high	95.7	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.037	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.3	177	66.6	-179.1	24.3	0	0	111	W14 M15 N16 W28 T39 N40 L51	W14-Q31 HydrophobicContact CD2-CG 4.14Å; W14-Q31 HydrophobicContact CE3-CB 3.84Å; W14-Q31 HydrophobicContact CE3-CG 3.31Å; W14-Q31 HydrophobicContact CZ3-CB 4.48Å; W14-Q31 HydrophobicContact CZ3-CG 3.61Å; M15-Q31 CarbonylContact O-C 3.38Å; M15-Q31 VanDerWaalsContact O-CA 3.24Å; M15-Q31 WeakPolarHBondContact O-CA 3.4Å; N16-Q31 WeakPolarHBondContact OD1-CB 3.4Å; N16-Q31 PolarHBondContact OD1-OE1 2.96Å; W28-Q31 HydrophobicContact CZ2-CB 3.96Å; W28-Q31 HydrophobicContact CZ2-CG 3.78Å; Q31-T39 WeakPolarHBondContact O-CA 3.42Å; Q31-N40 HydrophobicContact CG-CB 4.04Å; Q31-N40 PolarHBondContact N-O 2.98Å; Q31-N40 PolarHBondContact O-N 2.86Å; Q31-L51 VanDerWaalsContact C-CD1 3.47Å; Q31-L51 WeakPolarHBondContact O-CD1 3.46Å
32	I	97.2	Very high	95.6	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.5	168.7	-176.4	164.6	0	0	0	109.8	M15 P34 D38 T39 L51 T52 A53 A60	M15-I32 HydrophobicContact CB-CG2 4.2Å; M15-I32 PolarHBondContact N-O 3.36Å; M15-I32 PolarHBondContact O-N 2.87Å; I32-P34 WeakPolarHBondContact O-CD 3.44Å; I32-D38 CarbonylContact C-O 3.51Å; I32-D38 WeakPolarHBondContact CA-O 3.39Å; I32-T39 HydrophobicContact CB-CG2 3.95Å; I32-T39 HydrophobicContact CD1-CG2 3.85Å; I32-T39 HydrophobicContact CG1-CG2 3.77Å; I32-L51 HydrophobicContact CB-CB 4.12Å; I32-L51 HydrophobicContact CG2-CB 4.43Å; I32-T52 VanDerWaalsContact CD1-C 3.49Å; I32-A53 HydrophobicContact CD1-CB 3.9Å; I32-A53 HydrophobicContact CG1-CB 4.46Å; I32-A60 HydrophobicContact CG2-CB 4.49Å
33	Y	96.4	Very high	95.7	Very high	60 Å²	60	50.6 Å²	50.6	24%	0.235	32%	0.316	C	S	.	.			trans	-93.9	109.9	167.6	-169.6	-116.8	0	0	0	108.3	S11 W14 G35 D36 G37 D38	S11-Y33 VanDerWaalsContact O-CZ 3.3Å; S11-Y33 PolarHBondContact O-OH 3.22Å; W14-Y33 AromaticContact CD1-CD2 3.95Å; W14-Y33 HydrophobicContact CD2-CD2 4.08Å; W14-Y33 HydrophobicContact CD2-CG 4.38Å; W14-Y33 AromaticContact CE2-CD2 3.98Å; W14-Y33 VanDerWaalsContact CE3-N 3.25Å; W14-Y33 HydrophobicContact CG-CD2 4.11Å; W14-Y33 HydrophobicContact CZ2-CG 4.36Å; W14-Y33 VanDerWaalsContact CZ3-N 3.32Å; W14-Y33 AromaticContact NE1-CD2 3.86Å; Y33-G35 PolarHBondContact O-N 3.49Å; Y33-G35 VanDerWaalsContact O-N 3.12Å; Y33-D36 WeakPolarHBondContact CD1-OD1 3.34Å; Y33-G37 VanDerWaalsContact O-CA 3.31Å; Y33-G37 WeakPolarHBondContact O-CA 3.06Å; Y33-G37 PolarHBondContact O-N 3.49Å; Y33-D38 PolarHBondContact N-O 2.58Å
34	P	96.6	Very high	95.6	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.019	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.4	-175.9	-20.7	34.7	0	0	0	113.4	F10 Y13 I32 A53 K55	F10-P34 HydrophobicContact CD1-CB 3.8Å; F10-P34 HydrophobicContact CD1-CG 4.1Å; F10-P34 HydrophobicContact CD2-CG 4.09Å; F10-P34 HydrophobicContact CE1-CB 3.48Å; F10-P34 VanDerWaalsContact CE1-CB 3.48Å; F10-P34 HydrophobicContact CE1-CG 3.67Å; F10-P34 HydrophobicContact CE2-CB 4.38Å; F10-P34 HydrophobicContact CE2-CG 3.65Å; F10-P34 HydrophobicContact CG-CB 4.41Å; F10-P34 HydrophobicContact CG-CG 4.32Å; F10-P34 HydrophobicContact CZ-CB 3.8Å; F10-P34 HydrophobicContact CZ-CG 3.42Å; F10-P34 VanDerWaalsContact CZ-CG 3.42Å; Y13-P34 WeakPolarHBondContact O-CD 3.37Å; I32-P34 WeakPolarHBondContact O-CD 3.44Å; P34-A53 HydrophobicContact CB-CB 3.88Å; P34-A53 HydrophobicContact CG-CB 4.16Å; P34-K55 WeakPolarHBondContact O-CE 3.2Å; P34-K55 WeakPolarHBondContact O-CG 3.35Å
35	G	95.4	Very high	95.6	Very high	24 Å²	24	48 Å²	48	25%	0.247	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-44.1	-178.9	0	0	0	0	0	114.1	S11 Y33 K55	S11-G35 VanDerWaalsContact O-CA 3.24Å; S11-G35 WeakPolarHBondContact O-CA 3.23Å; S11-G35 PolarHBondContact O-N 2.72Å; Y33-G35 PolarHBondContact O-N 3.49Å; Y33-G35 VanDerWaalsContact O-N 3.12Å; G35-K55 WeakPolarHBondContact O-CE 3.25Å; G35-K55 PolarHBondContact O-NZ 2.84Å
36	D	95.7	Very high	95.5	Very high	117 Å²	117	53.4 Å²	53.4	63%	0.626	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	-15.1	179.9	52.3	26.4	0	0	0	113.5	Y33 D38	Y33-D36 WeakPolarHBondContact CD1-OD1 3.34Å; D36-D38 WeakPolarHBondContact OD1-CB 3.48Å; D36-D38 PolarHBondContact OD1-N 2.85Å
37	G	96.2	Very high	95.4	Very high	39 Å²	39	52.1 Å²	52.1	40%	0.402	30%	0.3	S	S	.	.			trans	90.3	9.6	-176.5	0	0	0	0	0	114.3	Y33	Y33-G37 VanDerWaalsContact O-CA 3.31Å; Y33-G37 WeakPolarHBondContact O-CA 3.06Å; Y33-G37 PolarHBondContact O-N 3.49Å
38	D	96.3	Very high	95.3	Very high	88 Å²	88	52.7 Å²	52.7	47%	0.471	30%	0.301	S	S	.	.			trans	-59.9	139.6	175.6	-173.7	28.1	0	0	0	110.9	W14 I32 Y33 D36	W14-D38 HydrophobicContact CH2-CB 4.1Å; W14-D38 WeakPolarHBondContact CH2-OD2 3.49Å; W14-D38 WeakPolarHBondContact CZ3-O 3.25Å; I32-D38 CarbonylContact C-O 3.51Å; I32-D38 WeakPolarHBondContact CA-O 3.39Å; Y33-D38 PolarHBondContact N-O 2.58Å; D36-D38 WeakPolarHBondContact OD1-CB 3.48Å; D36-D38 PolarHBondContact OD1-N 2.85Å
39	T	96.9	Very high	95.4	Very high	48 Å²	48	51 Å²	51	29%	0.294	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139	-176.3	55.7	0	0	0	0	111.4	Q31 I32 Y41 L51	Q31-T39 WeakPolarHBondContact O-CA 3.42Å; I32-T39 HydrophobicContact CB-CG2 3.95Å; I32-T39 HydrophobicContact CD1-CG2 3.85Å; I32-T39 HydrophobicContact CG1-CG2 3.77Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.47Å; T39-L51 HydrophobicContact CG2-CB 4.08Å
40	N	95.5	Very high	95.5	Very high	62 Å²	62	54.3 Å²	54.3	33%	0.332	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.8	178	-158.7	-32.2	0	0	0	110	G30 Q31 R83	G30-N40 CarbonylContact C-O 3.57Å; G30-N40 WeakPolarHBondContact CA-O 3.23Å; Q31-N40 HydrophobicContact CG-CB 4.04Å; Q31-N40 PolarHBondContact N-O 2.98Å; Q31-N40 PolarHBondContact O-N 2.86Å; N40-R83 PolarHBondContact OD1-NH2 2.86Å
41	Y	96.3	Very high	95.6	Very high	50 Å²	50	54.7 Å²	54.7	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.9	-169.7	-63.8	-94	0	0	0	111.3	T39 A49 L51	T39-Y41 WeakPolarHBondContact OG1-CE2 3.47Å; Y41-A49 HydrophobicContact CE1-CB 4.32Å; Y41-A49 WeakPolarHBondContact CE1-O 3.2Å; Y41-L51 HydrophobicContact CE1-CD1 4.1Å; Y41-L51 HydrophobicContact CE1-CG 3.77Å; Y41-L51 PolarHBondContact OH-N 3.38Å; Y41-L51 VanDerWaalsContact OH-N 3.11Å
42	N	95	Very high	95.7	Very high	47 Å²	47	57.8 Å²	57.8	25%	0.251	34%	0.338	S	S	.	.			trans	-73	135	157.7	178.4	-18.3	0	0	0	108.4	W28 I29 K44 F45 K46	W28-N42 HydrophobicContact CE3-CB 3.79Å; W28-N42 HydrophobicContact CZ3-CB 3.96Å; W28-N42 VanDerWaalsContact CZ3-N 3.35Å; W28-N42 WeakPolarHBondContact O-CB 3.38Å; W28-N42 PolarHBondContact O-ND2 3.46Å; I29-N42 WeakPolarHBondContact O-CB 3.42Å; I29-N42 PolarHBondContact O-N 2.92Å; N42-K44 PolarHBondContact O-N 3.46Å; N42-K44 PolarHBondContact OD1-N 2.75Å; N42-K44 VanDerWaalsContact OD1-N 3.14Å; N42-F45 HydrophobicContact CB-CD2 3.95Å; N42-F45 PolarHBondContact O-N 2.92Å; N42-K46 PolarHBondContact O-N 3.32Å
43	G	94.3	Very high	95.7	Very high	64 Å²	64	59.2 Å²	59.2	66%	0.66	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-32.5	-178.5	0	0	0	0	0	113.9	F45	G43-F45 PolarHBondContact O-N 3.19Å
44	K	91.9	Very high	95.8	Very high	158 Å²	158	58.9 Å²	58.9	69%	0.687	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.8	176.1	-67.2	-175.5	177.9	-177.4	0	114.9	E27 N42	E27-K44 IonicContact OE2-NZ 4Å; N42-K44 PolarHBondContact O-N 3.46Å; N42-K44 PolarHBondContact OD1-N 2.75Å; N42-K44 VanDerWaalsContact OD1-N 3.14Å
45	F	93.8	Very high	95.7	Very high	8 Å²	8	64.7 Å²	64.7	4%	0.035	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-4.3	-174.6	-59.7	-89.6	0	0	0	113.1	K19 E27 I29 N42 G43 G47 K48 A49	K19-F45 HydrophobicContact CD-CE1 3.98Å; K19-F45 HydrophobicContact CD-CZ 4.11Å; K19-F45 HydrophobicContact CG-CZ 4.28Å; E27-F45 HydrophobicContact CB-CZ 4.37Å; I29-F45 HydrophobicContact CB-CD1 4.46Å; I29-F45 HydrophobicContact CB-CD2 4.34Å; I29-F45 HydrophobicContact CB-CG 4.23Å; I29-F45 HydrophobicContact CG1-CD1 4.1Å; I29-F45 HydrophobicContact CG1-CD2 4.34Å; I29-F45 HydrophobicContact CG1-CE1 3.96Å; I29-F45 HydrophobicContact CG1-CE2 4.2Å; I29-F45 HydrophobicContact CG1-CG 4.28Å; I29-F45 HydrophobicContact CG1-CZ 4.01Å; I29-F45 HydrophobicContact CG2-CB 3.72Å; I29-F45 HydrophobicContact CG2-CD1 3.96Å; I29-F45 HydrophobicContact CG2-CD2 4.32Å; I29-F45 HydrophobicContact CG2-CG 3.75Å; N42-F45 HydrophobicContact CB-CD2 3.95Å; N42-F45 PolarHBondContact O-N 2.92Å; G43-F45 PolarHBondContact O-N 3.19Å; F45-G47 PolarHBondContact O-N 2.91Å; F45-K48 PolarHBondContact O-N 2.87Å; F45-A49 HydrophobicContact CB-CB 4.47Å; F45-A49 PolarHBondContact O-N 2.97Å
46	K	92.4	Very high	95.7	Very high	168 Å²	168	68.7 Å²	68.7	73%	0.73	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-61.5	123.2	175.8	-169.8	175.5	-177.2	178.8	0	109.3	N42 K48	N42-K46 PolarHBondContact O-N 3.32Å; K46-K48 VanDerWaalsContact C-N 3.28Å; K46-K48 PolarHBondContact O-N 2.96Å
47	G	91.9	Very high	95.7	Very high	70 Å²	70	64.9 Å²	64.9	72%	0.722	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-12.1	-174.4	0	0	0	0	0	115.2	F45 S65	F45-G47 PolarHBondContact O-N 2.91Å; G47-S65 PolarHBondContact O-OG 3.26Å
48	K	95.1	Very high	95.8	Very high	48 Å²	48	64.7 Å²	64.7	21%	0.209	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-31.6	173.5	-165.1	172.4	-168.5	173.9	0	113	F45 K46 L64 S65 S66 D71	F45-K48 PolarHBondContact O-N 2.87Å; K46-K48 VanDerWaalsContact C-N 3.28Å; K46-K48 PolarHBondContact O-N 2.96Å; K48-L64 WeakPolarHBondContact O-CA 3.24Å; K48-S65 WeakPolarHBondContact CG-O 3.02Å; K48-S65 PolarHBondContact O-N 3.24Å; K48-S65 PolarHBondContact O-OG 3.46Å; K48-S66 WeakPolarHBondContact CE-O 3.49Å; K48-D71 VanDerWaalsContact CE-OD2 3.23Å; K48-D71 WeakPolarHBondContact CE-OD2 3Å; K48-D71 IonicContact NZ-OD1 2.92Å; K48-D71 PolarHBondContact NZ-OD1 3.05Å; K48-D71 IonicContact NZ-OD2 2.58Å; K48-D71 PolarHBondContact NZ-OD2 2.91Å
49	A	97.3	Very high	95.9	Very high	3 Å²	3	61 Å²	61	3%	0.025	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.2	173.2	0	0	0	0	0	110.4	I29 Y41 F45 M62 Q63 L64	I29-A49 HydrophobicContact CG2-CB 3.77Å; Y41-A49 HydrophobicContact CE1-CB 4.32Å; Y41-A49 WeakPolarHBondContact CE1-O 3.2Å; F45-A49 HydrophobicContact CB-CB 4.47Å; F45-A49 PolarHBondContact O-N 2.97Å; A49-M62 HydrophobicContact CB-CG 4.28Å; A49-M62 HydrophobicContact CB-SD 4.05Å; A49-Q63 WeakPolarHBondContact CA-O 3.43Å; A49-L64 HydrophobicContact CB-CD2 3.91Å
50	T	98.1	Very high	96	Very high	70 Å²	70	58.7 Å²	58.7	43%	0.429	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.6	167.2	-58.5	0	0	0	0	108	T52 M62 Q63	T50-T52 HydrophobicContact CG2-CG2 4.46Å; T50-M62 WeakPolarHBondContact O-CA 3.49Å; T50-Q63 PolarHBondContact N-O 3.11Å; T50-Q63 PolarHBondContact O-N 2.95Å
51	L	98.4	Very high	96.1	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.042	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134	179.2	-53.7	-175.4	0	0	0	110.5	W17 Q31 I32 T39 Y41 Y61 M62	W17-L51 VanDerWaalsContact CD1-CD2 3.47Å; W17-L51 HydrophobicContact CG-CD2 4.09Å; Q31-L51 VanDerWaalsContact C-CD1 3.47Å; Q31-L51 WeakPolarHBondContact O-CD1 3.46Å; I32-L51 HydrophobicContact CB-CB 4.12Å; I32-L51 HydrophobicContact CG2-CB 4.43Å; T39-L51 HydrophobicContact CG2-CB 4.08Å; Y41-L51 HydrophobicContact CE1-CD1 4.1Å; Y41-L51 HydrophobicContact CE1-CG 3.77Å; Y41-L51 PolarHBondContact OH-N 3.38Å; Y41-L51 VanDerWaalsContact OH-N 3.11Å; L51-Y61 WeakPolarHBondContact CA-O 3.37Å; L51-M62 HydrophobicContact CD2-CB 3.65Å; L51-M62 HydrophobicContact CD2-CG 3.59Å; L51-M62 HydrophobicContact CD2-SD 3.91Å
52	T	98.4	Very high	96.2	Very high	74 Å²	74	57.5 Å²	57.5	45%	0.454	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	164.5	173.2	64	0	0	0	0	110.3	I32 T50 Y61	I32-T52 VanDerWaalsContact CD1-C 3.49Å; T50-T52 HydrophobicContact CG2-CG2 4.46Å; T52-Y61 PolarHBondContact N-O 2.8Å; T52-Y61 PolarHBondContact O-N 3.19Å
53	A	98.1	Very high	96.3	Very high	35 Å²	35	61.8 Å²	61.8	29%	0.289	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	139.3	177.4	0	0	0	0	0	110.9	F10 I32 P34 T59	F10-A53 HydrophobicContact CE1-CB 4.14Å; F10-A53 HydrophobicContact CZ-CB 4.08Å; I32-A53 HydrophobicContact CD1-CB 3.9Å; I32-A53 HydrophobicContact CG1-CB 4.46Å; P34-A53 HydrophobicContact CB-CB 3.88Å; P34-A53 HydrophobicContact CG-CB 4.16Å; A53-T59 WeakPolarHBondContact CA-O 3.35Å
54	D	97.4	Very high	96.5	Very high	53 Å²	53	60.2 Å²	60.2	28%	0.283	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.5	169	168.9	27.7	0	0	0	109.2	S56 S57 S58 T59 Y61	D54-S56 VanDerWaalsContact C-N 3.28Å; D54-S56 VanDerWaalsContact CG-OG 3.26Å; D54-S56 PolarHBondContact O-N 2.93Å; D54-S56 WeakPolarHBondContact OD1-CB 3.47Å; D54-S56 PolarHBondContact OD1-N 2.87Å; D54-S56 PolarHBondContact OD1-OG 2.72Å; D54-S56 PolarHBondContact OD2-OG 3.24Å; D54-S56 VanDerWaalsContact OD2-OG 3.06Å; D54-S57 WeakPolarHBondContact OD2-CB 3.2Å; D54-S57 PolarHBondContact OD2-N 2.85Å; D54-S57 PolarHBondContact OD2-OG 2.82Å; D54-S58 WeakPolarHBondContact O-CA 3.37Å; D54-S58 PolarHBondContact O-N 2.87Å; D54-S58 VanDerWaalsContact O-N 3.17Å; D54-T59 PolarHBondContact N-O 2.94Å; D54-T59 PolarHBondContact O-N 2.9Å; D54-Y61 HydrophobicContact CB-CE2 4.08Å
55	K	95.4	Very high	96.6	Very high	124 Å²	124	54.9 Å²	54.9	54%	0.539	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-36.1	176.3	-66.1	171.8	176.7	174.8	0	111.9	P34 G35 S58	P34-K55 WeakPolarHBondContact O-CE 3.2Å; P34-K55 WeakPolarHBondContact O-CG 3.35Å; G35-K55 WeakPolarHBondContact O-CE 3.25Å; G35-K55 PolarHBondContact O-NZ 2.84Å; K55-S58 PolarHBondContact O-N 2.94Å
56	S	94.9	Very high	96.5	Very high	109 Å²	109	59.7 Å²	59.7	76%	0.762	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-44.1	-170.9	72	0	0	0	0	112.4	D54 S58	D54-S56 VanDerWaalsContact C-N 3.28Å; D54-S56 VanDerWaalsContact CG-OG 3.26Å; D54-S56 PolarHBondContact O-N 2.93Å; D54-S56 WeakPolarHBondContact OD1-CB 3.47Å; D54-S56 PolarHBondContact OD1-N 2.87Å; D54-S56 PolarHBondContact OD1-OG 2.72Å; D54-S56 PolarHBondContact OD2-OG 3.24Å; D54-S56 VanDerWaalsContact OD2-OG 3.06Å; S56-S58 VanDerWaalsContact C-N 3.33Å
57	S	97	Very high	96.5	Very high	36 Å²	36	54.8 Å²	54.8	25%	0.252	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.3	172.2	68.6	0	0	0	0	114.2	K4 D54 T59	K4-S57 WeakPolarHBondContact CE-O 3.35Å; D54-S57 WeakPolarHBondContact OD2-CB 3.2Å; D54-S57 PolarHBondContact OD2-N 2.85Å; D54-S57 PolarHBondContact OD2-OG 2.82Å; S57-T59 VanDerWaalsContact C-N 3.32Å; S57-T59 PolarHBondContact O-OG1 2.98Å; S57-T59 VanDerWaalsContact OG-CB 3.29Å; S57-T59 WeakPolarHBondContact OG-CB 3.46Å; S57-T59 PolarHBondContact OG-OG1 2.81Å
58	S	97.3	Very high	96.6	Very high	36 Å²	36	54.6 Å²	54.6	25%	0.252	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	43.1	-169.8	-65.2	0	0	0	0	113.2	A5 F10 D54 K55 S56	A5-S58 PolarHBondContact N-O 3Å; F10-S58 VanDerWaalsContact CD1-CA 3.48Å; D54-S58 WeakPolarHBondContact O-CA 3.37Å; D54-S58 PolarHBondContact O-N 2.87Å; D54-S58 VanDerWaalsContact O-N 3.17Å; K55-S58 PolarHBondContact O-N 2.94Å; S56-S58 VanDerWaalsContact C-N 3.33Å
59	T	98.3	Very high	96.5	Very high	10 Å²	10	55.9 Å²	55.9	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.5	-174.5	-48.9	0	0	0	0	111.3	C3 K4 A53 D54 S57 Y61	C3-T59 WeakPolarHBondContact O-CA 3.38Å; K4-T59 HydrophobicContact CB-CG2 4.48Å; A53-T59 WeakPolarHBondContact CA-O 3.35Å; D54-T59 PolarHBondContact N-O 2.94Å; D54-T59 PolarHBondContact O-N 2.9Å; S57-T59 VanDerWaalsContact C-N 3.32Å; S57-T59 PolarHBondContact O-OG1 2.98Å; S57-T59 VanDerWaalsContact OG-CB 3.29Å; S57-T59 WeakPolarHBondContact OG-CB 3.46Å; S57-T59 PolarHBondContact OG-OG1 2.81Å; T59-Y61 HydrophobicContact CG2-CD1 4.34Å; T59-Y61 HydrophobicContact CG2-CD2 4.42Å; T59-Y61 HydrophobicContact CG2-CE1 3.71Å; T59-Y61 HydrophobicContact CG2-CE2 3.79Å; T59-Y61 VanDerWaalsContact CG2-CZ 3.4Å; T59-Y61 WeakPolarHBondContact O-CE2 2.99Å
60	A	98.2	Very high	96.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	151.2	165.9	0	0	0	0	0	110.4	S2 C3 F10 M15 W17 I32	S2-A60 CarbonylContact C-O 3.48Å; S2-A60 WeakPolarHBondContact CA-O 3.33Å; C3-A60 PolarHBondContact N-O 2.99Å; C3-A60 PolarHBondContact O-N 2.9Å; F10-A60 HydrophobicContact CE2-CB 4.27Å; F10-A60 HydrophobicContact CZ-CB 3.97Å; M15-A60 HydrophobicContact CB-CB 3.9Å; M15-A60 HydrophobicContact CG-CB 3.53Å; W17-A60 HydrophobicContact CZ2-CB 4.29Å; I32-A60 HydrophobicContact CG2-CB 4.49Å
61	Y	98.6	Very high	96	Very high	85 Å²	85	59.1 Å²	59.1	33%	0.333	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.9	178.3	-53.9	-93.4	0	0	0	110.6	L1 L51 T52 D54 T59	L1-Y61 WeakPolarHBondContact O-CA 3.35Å; L51-Y61 WeakPolarHBondContact CA-O 3.37Å; T52-Y61 PolarHBondContact N-O 2.8Å; T52-Y61 PolarHBondContact O-N 3.19Å; D54-Y61 HydrophobicContact CB-CE2 4.08Å; T59-Y61 HydrophobicContact CG2-CD1 4.34Å; T59-Y61 HydrophobicContact CG2-CD2 4.42Å; T59-Y61 HydrophobicContact CG2-CE1 3.71Å; T59-Y61 HydrophobicContact CG2-CE2 3.79Å; T59-Y61 VanDerWaalsContact CG2-CZ 3.4Å; T59-Y61 WeakPolarHBondContact O-CE2 2.99Å
62	M	98.4	Very high	95.8	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.3	165	176.6	171.3	67.1	0	0	108.6	L1 W17 I29 A49 T50 L51 L64 Y75	L1-M62 HydrophobicContact CD1-CE 3.79Å; L1-M62 PolarHBondContact N-O 3.1Å; L1-M62 PolarHBondContact O-N 2.82Å; W17-M62 HydrophobicContact CB-CE 4.23Å; W17-M62 HydrophobicContact CB-SD 3.87Å; W17-M62 HydrophobicContact CD2-CB 3.71Å; W17-M62 HydrophobicContact CD2-CE 4.11Å; W17-M62 HydrophobicContact CD2-SD 4.24Å; W17-M62 HydrophobicContact CE3-CB 4.08Å; W17-M62 HydrophobicContact CE3-CE 3.77Å; W17-M62 HydrophobicContact CE3-SD 4.49Å; W17-M62 HydrophobicContact CG-CB 4.13Å; W17-M62 HydrophobicContact CG-CE 4.35Å; W17-M62 HydrophobicContact CG-SD 4Å; W17-M62 HydrophobicContact CH2-CB 4.3Å; W17-M62 HydrophobicContact CZ2-CB 3.96Å; W17-M62 HydrophobicContact CZ3-CB 4.36Å; W17-M62 HydrophobicContact CZ3-CE 4.46Å; I29-M62 HydrophobicContact CD1-CE 3.75Å; I29-M62 HydrophobicContact CD1-SD 3.91Å; I29-M62 HydrophobicContact CG2-SD 3.81Å; A49-M62 HydrophobicContact CB-CG 4.28Å; A49-M62 HydrophobicContact CB-SD 4.05Å; T50-M62 WeakPolarHBondContact O-CA 3.49Å; L51-M62 HydrophobicContact CD2-CB 3.65Å; L51-M62 HydrophobicContact CD2-CG 3.59Å; L51-M62 HydrophobicContact CD2-SD 3.91Å; M62-L64 HydrophobicContact CE-CD1 4.16Å; M62-L64 HydrophobicContact CE-CD2 4.15Å; M62-L64 HydrophobicContact CE-CG 4.22Å; M62-L64 HydrophobicContact CG-CD2 4.16Å; M62-L64 HydrophobicContact CG-CG 4.29Å; M62-L64 HydrophobicContact SD-CD2 3.92Å; M62-L64 HydrophobicContact SD-CG 4.45Å; M62-Y75 HydrophobicContact CE-CD1 3.66Å; M62-Y75 HydrophobicContact CE-CE1 4.07Å
63	Q	98.1	Very high	95.8	Very high	138 Å²	138	57.1 Å²	57.1	65%	0.645	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	137	165.3	-172.3	174.9	8.3	0	0	108.4	A49 T50	A49-Q63 WeakPolarHBondContact CA-O 3.43Å; T50-Q63 PolarHBondContact N-O 3.11Å; T50-Q63 PolarHBondContact O-N 2.95Å
64	L	96.6	Very high	95.8	Very high	30 Å²	30	57.5 Å²	57.5	16%	0.157	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.8	172.5	-65.3	170.1	0	0	0	108.4	K48 A49 M62 L67 Y75 L95	K48-L64 WeakPolarHBondContact O-CA 3.24Å; A49-L64 HydrophobicContact CB-CD2 3.91Å; M62-L64 HydrophobicContact CE-CD1 4.16Å; M62-L64 HydrophobicContact CE-CD2 4.15Å; M62-L64 HydrophobicContact CE-CG 4.22Å; M62-L64 HydrophobicContact CG-CD2 4.16Å; M62-L64 HydrophobicContact CG-CG 4.29Å; M62-L64 HydrophobicContact SD-CD2 3.92Å; M62-L64 HydrophobicContact SD-CG 4.45Å; L64-L67 HydrophobicContact CB-CD1 4.37Å; L64-L67 HydrophobicContact CB-CD2 3.83Å; L64-L67 HydrophobicContact CB-CG 4.23Å; L64-L67 HydrophobicContact CD1-CD2 4.12Å; L64-Y75 HydrophobicContact CD1-CD1 4.35Å; L64-Y75 HydrophobicContact CD1-CE1 3.66Å; L64-L95 HydrophobicContact CD1-CD2 3.9Å
65	S	94.6	Very high	95.9	Very high	47 Å²	47	55.1 Å²	55.1	33%	0.329	31%	0.314	S	S	.	.			trans	-113.6	162.7	176.7	57.3	0	0	0	0	110.9	G47 K48 L67	G47-S65 PolarHBondContact O-OG 3.26Å; K48-S65 WeakPolarHBondContact CG-O 3.02Å; K48-S65 PolarHBondContact O-N 3.24Å; K48-S65 PolarHBondContact O-OG 3.46Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 3.28Å; S65-L67 VanDerWaalsContact O-N 3.14Å
66	S	91.6	Very high	96	Very high	109 Å²	109	50.7 Å²	50.7	76%	0.762	29%	0.294	S	S	*	.	S	Bend	trans	46	50	173.2	-55.3	0	0	0	0	113.5	K48	K48-S66 WeakPolarHBondContact CE-O 3.49Å
67	L	92.9	Very high	96.1	Very high	65 Å²	65	46.2 Å²	46.2	34%	0.34	26%	0.263	S	S	.	.			trans	-69.7	140.1	-178.6	-72.7	173.3	0	0	0	111.2	L64 S65 D71 L95 V97	L64-L67 HydrophobicContact CB-CD1 4.37Å; L64-L67 HydrophobicContact CB-CD2 3.83Å; L64-L67 HydrophobicContact CB-CG 4.23Å; L64-L67 HydrophobicContact CD1-CD2 4.12Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 3.28Å; S65-L67 VanDerWaalsContact O-N 3.14Å; L67-D71 WeakPolarHBondContact CA-OD2 3.32Å; L67-D71 HydrophobicContact CD2-CB 3.65Å; L67-L95 HydrophobicContact CD1-CD2 4.08Å; L67-L95 HydrophobicContact CD2-CD2 4.32Å; L67-V97 HydrophobicContact CB-CG1 4.17Å; L67-V97 HydrophobicContact CB-CG2 4.11Å; L67-V97 HydrophobicContact CD1-CG2 4.22Å
68	T	93.3	Very high	96	Very high	66 Å²	66	44.5 Å²	44.5	41%	0.405	25%	0.251	S	S	.	.			trans	-122.5	170.4	171.3	68.4	0	0	0	0	109.8	E70 D71 V97	T68-E70 PolarHBondContact O-N 3.14Å; T68-E70 VanDerWaalsContact O-N 3.13Å; T68-D71 PolarHBondContact N-OD2 2.76Å; T68-D71 WeakPolarHBondContact O-CB 2.98Å; T68-D71 PolarHBondContact O-N 3.37Å; T68-V97 WeakPolarHBondContact O-CB 3.29Å; T68-V97 WeakPolarHBondContact O-CG1 3.38Å
69	S	93.2	Very high	95.8	Very high	75 Å²	75	44.4 Å²	44.4	52%	0.524	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-56	-29.6	177.3	52	0	0	0	0	113.5	D71 S72 V97	S69-D71 PolarHBondContact O-N 2.96Å; S69-S72 VanDerWaalsContact O-CB 3.26Å; S69-S72 WeakPolarHBondContact O-CB 3.47Å; S69-S72 PolarHBondContact O-N 2.94Å; S69-S72 VanDerWaalsContact O-N 3.08Å; S69-S72 PolarHBondContact O-OG 2.89Å; S69-V97 VanDerWaalsContact CA-O 3.3Å; S69-V97 WeakPolarHBondContact CA-O 3.1Å
70	E	90.6	Very high	95.3	Very high	135 Å²	135	44 Å²	44	63%	0.631	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-66	-13.5	174.6	-58.4	-169.4	174.6	0	0	114.7	R21 T68 S72	R21-E70 VanDerWaalsContact CZ-O 3.25Å; R21-E70 PolarHBondContact NE-O 3.47Å; R21-E70 PolarHBondContact NH2-O 2.03Å; T68-E70 PolarHBondContact O-N 3.14Å; T68-E70 VanDerWaalsContact O-N 3.13Å; E70-S72 VanDerWaalsContact C-N 3.31Å
71	D	93.9	Very high	94.3	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.032	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-82.6	-10.1	173.1	-62.5	-57.5	0	0	0	113.2	K19 K48 L67 T68 S69 A73 Y75 V97	K19-D71 IonicContact NZ-OD1 3.38Å; K19-D71 PolarHBondContact NZ-OD1 2.93Å; K48-D71 VanDerWaalsContact CE-OD2 3.23Å; K48-D71 WeakPolarHBondContact CE-OD2 3Å; K48-D71 IonicContact NZ-OD1 2.92Å; K48-D71 PolarHBondContact NZ-OD1 3.05Å; K48-D71 IonicContact NZ-OD2 2.58Å; K48-D71 PolarHBondContact NZ-OD2 2.91Å; L67-D71 WeakPolarHBondContact CA-OD2 3.32Å; L67-D71 HydrophobicContact CD2-CB 3.65Å; T68-D71 PolarHBondContact N-OD2 2.76Å; T68-D71 WeakPolarHBondContact O-CB 2.98Å; T68-D71 PolarHBondContact O-N 3.37Å; S69-D71 PolarHBondContact O-N 2.96Å; D71-A73 WeakPolarHBondContact O-CB 3.42Å; D71-A73 PolarHBondContact O-N 2.92Å; D71-A73 VanDerWaalsContact O-N 3.09Å; D71-Y75 WeakPolarHBondContact O-CE2 3.44Å; D71-Y75 PolarHBondContact O-OH 2.88Å; D71-V97 HydrophobicContact CB-CG2 4.48Å
72	S	96.1	Very high	92.9	Very high	34 Å²	34	50 Å²	50	24%	0.238	28%	0.279	C	S	.	.			trans	-57.6	115.6	176.4	-55.9	0	0	0	0	110.9	S69 E70 L95 V97	S69-S72 VanDerWaalsContact O-CB 3.26Å; S69-S72 WeakPolarHBondContact O-CB 3.47Å; S69-S72 PolarHBondContact O-N 2.94Å; S69-S72 VanDerWaalsContact O-N 3.08Å; S69-S72 PolarHBondContact O-OG 2.89Å; E70-S72 VanDerWaalsContact C-N 3.31Å; S72-L95 CarbonylContact C-O 3.59Å; S72-L95 VanDerWaalsContact CA-O 3.25Å; S72-L95 WeakPolarHBondContact CA-O 3.45Å; S72-V97 PolarHBondContact OG-N 2.57Å; S72-V97 PolarHBondContact OG-O 2.85Å
73	A	97.4	Very high	91.1	Very high	5 Å²	5	55.5 Å²	55.5	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	165.6	-169.4	0	0	0	0	0	111	K19 Q20 R21 D71 Y75 L95	K19-A73 HydrophobicContact CB-CB 4.09Å; K19-A73 HydrophobicContact CD-CB 4.19Å; K19-A73 HydrophobicContact CG-CB 4.49Å; Q20-A73 WeakPolarHBondContact O-CA 3.37Å; Q20-A73 VanDerWaalsContact O-CB 3.29Å; Q20-A73 WeakPolarHBondContact O-CB 3.26Å; R21-A73 HydrophobicContact CG-CB 4.17Å; D71-A73 WeakPolarHBondContact O-CB 3.42Å; D71-A73 PolarHBondContact O-N 2.92Å; D71-A73 VanDerWaalsContact O-N 3.09Å; A73-Y75 HydrophobicContact CB-CD2 4.18Å; A73-Y75 HydrophobicContact CB-CE2 3.72Å; A73-Y75 WeakPolarHBondContact O-CD2 3.34Å; A73-L95 PolarHBondContact N-O 2.85Å; A73-L95 PolarHBondContact O-N 3.01Å
74	V	98.4	Very high	89.5	Confident	44 Å²	44	54.2 Å²	54.2	27%	0.267	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.9	160.9	-171.1	0	0	0	0	108.2	K19 Q20 F76 T93	K19-V74 CarbonylContact C-O 3.53Å; K19-V74 WeakPolarHBondContact CA-O 3.38Å; Q20-V74 PolarHBondContact N-O 3.04Å; Q20-V74 PolarHBondContact O-N 2.84Å; V74-F76 HydrophobicContact CB-CE2 3.8Å; V74-F76 HydrophobicContact CB-CZ 3.91Å; V74-F76 HydrophobicContact CG1-CD2 4.32Å; V74-F76 HydrophobicContact CG1-CE1 3.89Å; V74-F76 HydrophobicContact CG1-CE2 3.61Å; V74-F76 HydrophobicContact CG1-CZ 3.37Å; V74-T93 WeakPolarHBondContact CA-O 3.43Å
75	Y	98.3	Very high	88.4	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.6	179.6	-75	-97.8	0	0	0	110.2	L1 V18 K19 I29 M62 L64 D71 A73 G92 T93 L95	L1-Y75 HydrophobicContact CD1-CD1 3.97Å; L1-Y75 HydrophobicContact CD1-CD2 4.43Å; L1-Y75 HydrophobicContact CD1-CG 3.69Å; V18-Y75 WeakPolarHBondContact O-CA 3.46Å; K19-Y75 HydrophobicContact CB-CD1 3.75Å; K19-Y75 HydrophobicContact CB-CE1 3.66Å; K19-Y75 HydrophobicContact CB-CE2 4.43Å; K19-Y75 HydrophobicContact CB-CG 4.23Å; K19-Y75 HydrophobicContact CD-CE1 3.94Å; K19-Y75 HydrophobicContact CG-CE1 4.39Å; I29-Y75 HydrophobicContact CD1-CD1 3.74Å; I29-Y75 HydrophobicContact CD1-CE1 3.64Å; M62-Y75 HydrophobicContact CE-CD1 3.66Å; M62-Y75 HydrophobicContact CE-CE1 4.07Å; L64-Y75 HydrophobicContact CD1-CD1 4.35Å; L64-Y75 HydrophobicContact CD1-CE1 3.66Å; D71-Y75 WeakPolarHBondContact O-CE2 3.44Å; D71-Y75 PolarHBondContact O-OH 2.88Å; A73-Y75 HydrophobicContact CB-CD2 4.18Å; A73-Y75 HydrophobicContact CB-CE2 3.72Å; A73-Y75 WeakPolarHBondContact O-CD2 3.34Å; Y75-G92 CarbonylContact O-C 3.5Å; Y75-G92 VanDerWaalsContact O-CA 3.25Å; Y75-G92 WeakPolarHBondContact O-CA 3.32Å; Y75-T93 PolarHBondContact N-O 3.32Å; Y75-T93 PolarHBondContact O-N 3.17Å; Y75-L95 HydrophobicContact CD2-CB 3.75Å; Y75-L95 HydrophobicContact CD2-CD2 4.34Å; Y75-L95 HydrophobicContact CE2-CB 3.74Å; Y75-L95 HydrophobicContact CE2-CD2 3.79Å; Y75-L95 HydrophobicContact CE2-CG 4.32Å
76	F	98	Very high	87.8	Confident	31 Å²	31	61 Å²	61	14%	0.136	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.2	-178.1	-54.8	-93.1	0	0	0	110.5	W17 V18 Q20 V74 W89	W17-F76 WeakPolarHBondContact CA-O 3.49Å; V18-F76 PolarHBondContact N-O 3.36Å; V18-F76 PolarHBondContact O-N 2.8Å; Q20-F76 HydrophobicContact CB-CE2 3.85Å; V74-F76 HydrophobicContact CB-CE2 3.8Å; V74-F76 HydrophobicContact CB-CZ 3.91Å; V74-F76 HydrophobicContact CG1-CD2 4.32Å; V74-F76 HydrophobicContact CG1-CE1 3.89Å; V74-F76 HydrophobicContact CG1-CE2 3.61Å; V74-F76 HydrophobicContact CG1-CZ 3.37Å; F76-W89 HydrophobicContact CB-CE3 3.78Å; F76-W89 HydrophobicContact CB-CZ3 3.92Å; F76-W89 HydrophobicContact CG-CE3 4.24Å; F76-W89 HydrophobicContact CG-CZ3 4.36Å
77	C	96.8	Very high	87.3	Confident	14 Å²	14	59.1 Å²	59.1	10%	0.095	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	148.3	159.2	60.2	0	0	0	0	109.8	C3 M15 N16 W17 G90	C3-C77 HydrophobicContact CB-CB 3.44Å; C3-C77 VanDerWaalsContact CB-CB 3.44Å; C3-C77 WeakPolarHBondContact CB-SG 3.36Å; C3-C77 WeakPolarHBondContact SG-CB 3.15Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.83Å; M15-C77 HydrophobicContact CG-CB 4.43Å; M15-C77 HydrophobicContact SD-CB 3.79Å; N16-C77 CarbonylContact O-C 3.57Å; N16-C77 WeakPolarHBondContact O-CA 3.44Å; W17-C77 HydrophobicContact CD2-CB 4.46Å; W17-C77 HydrophobicContact CE3-CB 4.18Å; W17-C77 HydrophobicContact CH2-CB 4.3Å; W17-C77 HydrophobicContact CZ3-CB 4.11Å; C77-G90 PolarHBondContact O-N 3.03Å
78	A	95.5	Very high	87.2	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	138.3	177.4	0	0	0	0	0	112.4	N16 F86 Y88 W89	N16-A78 HydrophobicContact CB-CB 4.41Å; N16-A78 WeakPolarHBondContact CB-O 3.42Å; N16-A78 PolarHBondContact N-O 3.15Å; N16-A78 PolarHBondContact O-N 3.04Å; A78-F86 HydrophobicContact CB-CB 4.12Å; A78-F86 HydrophobicContact CB-CD1 4.45Å; A78-F86 HydrophobicContact CB-CG 4.17Å; A78-Y88 CarbonylContact C-O 3.54Å; A78-Y88 WeakPolarHBondContact CA-O 3.21Å; A78-W89 HydrophobicContact CB-CD2 3.7Å; A78-W89 HydrophobicContact CB-CE3 3.82Å; A78-W89 HydrophobicContact CB-CG 4.12Å; A78-W89 HydrophobicContact CB-CZ2 4.48Å; A78-W89 HydrophobicContact CB-CZ3 4.24Å
79	R	93.5	Very high	87.2	Confident	34 Å²	34	64.9 Å²	64.9	13%	0.128	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.1	171.9	-169.5	-165.5	82.1	-176	9.3	109.4	Y8 Y13 F86 D87 Y88	Y8-R79 HydrophobicContact CE1-CG 4.39Å; Y8-R79 HydrophobicContact CE2-CG 3.9Å; Y8-R79 VanDerWaalsContact CZ-CD 3.42Å; Y13-R79 HydrophobicContact CD1-CG 3.95Å; Y13-R79 HydrophobicContact CG-CG 3.88Å; R79-F86 CarbonylContact O-C 3.48Å; R79-F86 WeakPolarHBondContact O-CA 2.76Å; R79-D87 IonicContact CZ-OD2 3.41Å; R79-D87 IonicContact NE-OD2 3.24Å; R79-D87 PolarHBondContact NE-OD2 2.83Å; R79-D87 IonicContact NH2-OD2 2.72Å; R79-D87 PolarHBondContact NH2-OD2 2.9Å; R79-D87 PolarHBondContact O-N 2.8Å; R79-Y88 VanDerWaalsContact CZ-CD2 3.46Å; R79-Y88 PolarHBondContact N-O 2.72Å
80	G	88.1	Confident	87.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160.7	171.9	0	0	0	0	0	113.5	W14 Y85	W14-G80 WeakPolarHBondContact CB-O 3.24Å; W14-G80 PolarHBondContact N-O 2.8Å; W14-G80 PolarHBondContact O-N 3.2Å; G80-Y85 WeakPolarHBondContact CA-O 3.5Å
81	L	76.9	Confident	87.6	Confident	103 Å²	103	65.3 Å²	65.3	54%	0.539	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-31	170.6	-72.6	168.1	0	0	0	111.9	Y13 W14	Y13-L81 HydrophobicContact CD1-CD2 3.76Å; Y13-L81 HydrophobicContact CD1-CG 4.29Å; Y13-L81 HydrophobicContact CE1-CD2 3.6Å; Y13-L81 HydrophobicContact CE1-CG 4.21Å; W14-L81 VanDerWaalsContact CD1-O 3.22Å
82	L	68	Low	87.7	Confident	108 Å²	108	66.5 Å²	66.5	57%	0.565	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.6	174	175.3	-69.8	177.3	0	0	0	109.1	V84 Y85	L82-V84 PolarHBondContact O-N 3.27Å; L82-Y85 PolarHBondContact O-N 3.12Å
83	R	62.3	Low	87.8	Confident	117 Å²	117	68.3 Å²	68.3	44%	0.442	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-16.9	178.4	-80.6	-174.8	169	-149.5	1.8	116.7	W28 N40 F86	W28-R83 HydrophobicContact CH2-CG 4.27Å; W28-R83 VanDerWaalsContact CH2-CZ 3.44Å; W28-R83 HydrophobicContact CZ2-CG 3.97Å; W28-R83 VanDerWaalsContact CZ3-CZ 3.48Å; N40-R83 PolarHBondContact OD1-NH2 2.86Å; R83-F86 WeakPolarHBondContact O-CZ 3.31Å
84	V	63.3	Low	87.8	Confident	111 Å²	111	72.7 Å²	72.7	67%	0.673	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-6.1	-168.7	-69.4	0	0	0	0	115.1	L82	L82-V84 PolarHBondContact O-N 3.27Å
85	Y	74.3	Confident	87.7	Confident	162 Å²	162	72.5 Å²	72.5	64%	0.635	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	113.9	177.6	-70.1	-72.9	0	0	0	110.1	G80 L82	G80-Y85 WeakPolarHBondContact CA-O 3.5Å; L82-Y85 PolarHBondContact O-N 3.12Å
86	F	82.4	Confident	87.6	Confident	58 Å²	58	77.5 Å²	77.5	25%	0.254	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	108.9	177.8	-56.1	-37.4	0	0	0	109.7	N16 W28 A78 R79 R83 W89	N16-F86 HydrophobicContact CB-CD1 4.29Å; N16-F86 HydrophobicContact CB-CE1 3.8Å; N16-F86 HydrophobicContact CB-CZ 4.2Å; N16-F86 WeakPolarHBondContact ND2-CE1 3.44Å; N16-F86 VanDerWaalsContact OD1-CE1 3.23Å; N16-F86 WeakPolarHBondContact OD1-CE1 3.38Å; W28-F86 AromaticContact CD1-CZ 3.88Å; A78-F86 HydrophobicContact CB-CB 4.12Å; A78-F86 HydrophobicContact CB-CD1 4.45Å; A78-F86 HydrophobicContact CB-CG 4.17Å; R79-F86 CarbonylContact O-C 3.48Å; R79-F86 WeakPolarHBondContact O-CA 2.76Å; R83-F86 WeakPolarHBondContact O-CZ 3.31Å; F86-W89 HydrophobicContact CB-CZ2 4.1Å; F86-W89 AromaticContact CD2-CH2 3.99Å; F86-W89 HydrophobicContact CD2-CH2 3.99Å; F86-W89 AromaticContact CD2-CZ2 3.48Å; F86-W89 HydrophobicContact CD2-CZ2 3.48Å; F86-W89 VanDerWaalsContact CD2-CZ2 3.48Å; F86-W89 HydrophobicContact CE2-CH2 4.42Å; F86-W89 HydrophobicContact CE2-CZ2 4.31Å; F86-W89 HydrophobicContact CG-CZ2 4.17Å
87	D	81.3	Confident	87.4	Confident	70 Å²	70	77.4 Å²	77.4	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-36	-171.9	-48.7	-34.1	0	0	0	112.1	R79	R79-D87 IonicContact CZ-OD2 3.41Å; R79-D87 IonicContact NE-OD2 3.24Å; R79-D87 PolarHBondContact NE-OD2 2.83Å; R79-D87 IonicContact NH2-OD2 2.72Å; R79-D87 PolarHBondContact NH2-OD2 2.9Å; R79-D87 PolarHBondContact O-N 2.8Å
88	Y	89	Confident	87.1	Confident	150 Å²	150	81.5 Å²	81.5	59%	0.588	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	137.5	-175.1	-68.5	-86.5	0	0	0	110.4	A78 R79	A78-Y88 CarbonylContact C-O 3.54Å; A78-Y88 WeakPolarHBondContact CA-O 3.21Å; R79-Y88 VanDerWaalsContact CZ-CD2 3.46Å; R79-Y88 PolarHBondContact N-O 2.72Å
89	W	94.4	Very high	86.5	Confident	102 Å²	102	86.7 Å²	86.7	39%	0.386	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.1	178.6	-68.1	76.8	0	0	0	110.3	V18 L26 F76 A78 F86	V18-W89 HydrophobicContact CB-CH2 4.28Å; V18-W89 HydrophobicContact CB-CZ3 3.92Å; V18-W89 HydrophobicContact CG1-CH2 4.19Å; V18-W89 HydrophobicContact CG1-CZ3 4.12Å; V18-W89 HydrophobicContact CG2-CH2 3.92Å; V18-W89 HydrophobicContact CG2-CZ3 3.89Å; L26-W89 HydrophobicContact CD1-CH2 3.84Å; L26-W89 HydrophobicContact CD1-CZ2 4.32Å; F76-W89 HydrophobicContact CB-CE3 3.78Å; F76-W89 HydrophobicContact CB-CZ3 3.92Å; F76-W89 HydrophobicContact CG-CE3 4.24Å; F76-W89 HydrophobicContact CG-CZ3 4.36Å; A78-W89 HydrophobicContact CB-CD2 3.7Å; A78-W89 HydrophobicContact CB-CE3 3.82Å; A78-W89 HydrophobicContact CB-CG 4.12Å; A78-W89 HydrophobicContact CB-CZ2 4.48Å; A78-W89 HydrophobicContact CB-CZ3 4.24Å; F86-W89 HydrophobicContact CB-CZ2 4.1Å; F86-W89 AromaticContact CD2-CH2 3.99Å; F86-W89 HydrophobicContact CD2-CH2 3.99Å; F86-W89 AromaticContact CD2-CZ2 3.48Å; F86-W89 HydrophobicContact CD2-CZ2 3.48Å; F86-W89 VanDerWaalsContact CD2-CZ2 3.48Å; F86-W89 HydrophobicContact CE2-CH2 4.42Å; F86-W89 HydrophobicContact CE2-CZ2 4.31Å; F86-W89 HydrophobicContact CG-CZ2 4.17Å
90	G	95.4	Very high	85.5	Confident	30 Å²	30	93.2 Å²	93.2	31%	0.309	49%	0.492	S	S	.	.			trans	-68.7	159.2	162.1	0	0	0	0	0	110.7	C77 G92	C77-G90 PolarHBondContact O-N 3.03Å; G90-G92 PolarHBondContact O-N 3.32Å
91	Q	96.1	Very high	84.4	Confident	188 Å²	188	98.2 Å²	98.2	88%	0.879	53%	0.527	S	S	*	.			trans	-61.6	-11.6	-179.5	-62.4	-60.7	-35.2	0	0	114.4
92	G	96.9	Very high	83.3	Confident	31 Å²	31	102.3 Å²	102.3	32%	0.32	54%	0.543	S	S	.	.			trans	84.5	163.9	-173.2	0	0	0	0	0	112.4	Y75 G90	Y75-G92 CarbonylContact O-C 3.5Å; Y75-G92 VanDerWaalsContact O-CA 3.25Å; Y75-G92 WeakPolarHBondContact O-CA 3.32Å; G90-G92 PolarHBondContact O-N 3.32Å
93	T	97.8	Very high	82.5	Confident	72 Å²	72	106 Å²	106	44%	0.442	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.5	134.8	172	-175.2	0	0	0	0	109.9	L1 V74 Y75	L1-T93 HydrophobicContact CD1-CG2 4.25Å; L1-T93 HydrophobicContact CD2-CG2 3.87Å; V74-T93 WeakPolarHBondContact CA-O 3.43Å; Y75-T93 PolarHBondContact N-O 3.32Å; Y75-T93 PolarHBondContact O-N 3.17Å
94	T	97.8	Very high	83.6	Confident	97 Å²	97	105.4 Å²	105.4	60%	0.595	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.9	122.9	-179.6	-56.6	0	0	0	0	109.5
95	L	96	Very high	84.6	Confident	41 Å²	41	105.1 Å²	105.1	22%	0.215	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106	123	166.2	178.6	63.9	0	0	0	107.8	L64 L67 S72 A73 Y75 V97	L64-L95 HydrophobicContact CD1-CD2 3.9Å; L67-L95 HydrophobicContact CD1-CD2 4.08Å; L67-L95 HydrophobicContact CD2-CD2 4.32Å; S72-L95 CarbonylContact C-O 3.59Å; S72-L95 VanDerWaalsContact CA-O 3.25Å; S72-L95 WeakPolarHBondContact CA-O 3.45Å; A73-L95 PolarHBondContact N-O 2.85Å; A73-L95 PolarHBondContact O-N 3.01Å; Y75-L95 HydrophobicContact CD2-CB 3.75Å; Y75-L95 HydrophobicContact CD2-CD2 4.34Å; Y75-L95 HydrophobicContact CE2-CB 3.74Å; Y75-L95 HydrophobicContact CE2-CD2 3.79Å; Y75-L95 HydrophobicContact CE2-CG 4.32Å; L95-V97 HydrophobicContact CG-CG2 4.21Å
96	T	95.8	Very high	85.2	Confident	107 Å²	107	101.9 Å²	101.9	66%	0.656	58%	0.576	S	S	*	*			trans	-111.9	131.4	172.9	-57.5	0	0	0	0	108.3
97	V	93.5	Very high	85.4	Confident	29 Å²	29	104.5 Å²	104.5	18%	0.176	60%	0.595	C	S	.	*			trans	-121.5	110.4	177.4	-175	0	0	0	0	107.6	L67 T68 S69 D71 S72 L95	L67-V97 HydrophobicContact CB-CG1 4.17Å; L67-V97 HydrophobicContact CB-CG2 4.11Å; L67-V97 HydrophobicContact CD1-CG2 4.22Å; T68-V97 WeakPolarHBondContact O-CB 3.29Å; T68-V97 WeakPolarHBondContact O-CG1 3.38Å; S69-V97 VanDerWaalsContact CA-O 3.3Å; S69-V97 WeakPolarHBondContact CA-O 3.1Å; D71-V97 HydrophobicContact CB-CG2 4.48Å; S72-V97 PolarHBondContact OG-N 2.57Å; S72-V97 PolarHBondContact OG-O 2.85Å; L95-V97 HydrophobicContact CG-CG2 4.21Å
98	S	90.6	Very high	85.6	Confident	101 Å²	101	106.7 Å²	106.7	71%	0.706	61%	0.609	S	S	*	*			trans	-104.2	138.9	175	48.4	0	0	0	0	110.3	E100	S98-E100 PolarHBondContact O-N 3.45Å
99	S	83	Confident	85.4	Confident	110 Å²	110	103.8 Å²	103.8	77%	0.769	61%	0.61	S	S	*	*			trans	-69.8	123.1	162.3	50.7	0	0	0	0	108.9	S101	S99-S101 PolarHBondContact O-N 2.83Å
100	E	72.9	Confident	84.7	Confident	171 Å²	171	103.9 Å²	103.9	80%	0.799	63%	0.626	S	S	*	*			trans	-76.8	118.9	171.5	-165.6	167	-124.7	0	0	108.8	S98 Q102	S98-E100 PolarHBondContact O-N 3.45Å; E100-Q102 PolarHBondContact O-N 2.69Å
101	S	64.9	Low	83.9	Confident	105 Å²	105	109.6 Å²	109.6	73%	0.734	65%	0.651	S	S	*	*			trans	-78.1	106	169.6	53.1	0	0	0	0	108.3	S99 S103	S99-S101 PolarHBondContact O-N 2.83Å; S101-S103 PolarHBondContact O-N 3.06Å; S101-S103 VanDerWaalsContact O-N 3.1Å
102	Q	53.7	Low	82.9	Confident	189 Å²	189	103.1 Å²	103.1	88%	0.883	63%	0.632	S	S	*	*			trans	-68.4	105.7	165.3	-68.6	-177.2	1.4	0	0	108.1	E100	E100-Q102 PolarHBondContact O-N 2.69Å
103	S	51.8	Low	81.6	Confident	184 Å²	184	109.6 Å²	109.6	100%	1.287	66%	0.66	S	S	*	*			trans	-94.5	0	169.8	60.5	0	0	0	0	110.4	S101	S101-S103 PolarHBondContact O-N 3.06Å; S101-S103 VanDerWaalsContact O-N 3.1Å

Retrieved 103 of 103 residues in 44.6 ms (Link to these results)

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